Geometry & MOs

Info

ID:	72163
PubChem CID:	48415879
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-66.23
Dipole, Da:	7.79
IP(EA), eV:	-8.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations